water potentials



 About three weeks ago I posted a question regarding models (for use
 in MD, MC, etc.) that incorporate water polarization. Unfortunately,
 at the present time, there does not exist a model that can reproduce
 solvent/solute physical properties. It does seem, however, that the
 models that incoroprate polarization of water can reproduce water-water
 physical properties.
 There are a number of potentially good water-water models, most
 of which have already been generalized to include polarization terms.
 I would like to thank those who replied to my earlier questions. For
 the benefit of those who are interestred, below is a short list of
 recent references to water-water and some water-solute models.
 At present I am thinking of generalizing such polarization
 models to solute molecules. My particular interest is
 in MD and MC simulations; if anyone should have any good suggestions/
 references, I would welcome them.
 Thanks in advance,
 Wayne Sonnen
 wsonnen ^at^ eagle.weselyan.edu
 1) Michiel Sprik, et al
    "Solvent polarization and hydration of the chlorine anion"
    J. Phys. Chem. (1990), {\bf 94}, 6483-6488
 2) James Cadwell, et al
    "Implementation of nonadditive intermolecular potentials by
      use of molecular dynamics: development of a water-water potential
      and water-ion cluster interactions"
      J. Am. Chem. Soc., (1990) {\112}, 9144-9147
 3) Liem X. Dang, et al.
    "Ion solvation in polarizable water: molecular dynamics
 simulations"
    J. Am. Chem. Soc., (1991) {\bf 113}, 2481-2486.
 4) Xin Gui Zhao, et al.
    "Molecular modeling of solvation Cl^{-}(D_{2}0)"
     J. Chem. Phys. (1991) {\bf 94} 5544-5558
 5) Peter Ahlstrom, et al.
    "A molecular dynamics study of polarizable water"
    Mol. Phys. (1989) {\bf 68}, 563-581.
 6) William L. Jorgensen, et al.
    "Comparison of simple potential functions for simulating liquid
 water"
    J. Chem. Phys. (1983), {\bf 79}, 926-935.
 7) H. J. C. Berendsen, et al.
    "The missing term in effective pair potentials"
    J. Phys. Chem., (1987) {\bf 91}, 6269-6271.
 8) G. Chafasinski, et al.
    "Ab initio study of intermolecular potential of H_{2}0 trimer"
    J. Chem. Phys., (1991) {\bf 94}, 2873-2883.
 9) K. Ramnarayan, et al.
    "The effect of polarization energy on the free energy perturbation
     calculations"
    J. Chem. Phys., (1990) {\bf 92}, 7057-7067.
 10) U. Niesar, et al.
     "Molecular dynamics simulations of liquid water using the NCC
      ab initio potential"
     J. Phys. Chem., (1990) {\bf 94}, 7949-7956.